4-(2,2-difluoroethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperazine-1-carboxamide

C19H27F2N3O — CID 49121709

About 4-(2,2-difluoroethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperazine-1-carboxamide

4-(2,2-difluoroethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperazine-1-carboxamide (PubChem CID 49121709) has the molecular formula C19H27F2N3O and a molecular weight of 351.44 g/mol. Its IUPAC name is 4-(2,2-difluoroethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: 4-(2,2-difluoroethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperazine-1-carboxamide
• PubChem CID: 49121709
• Molecular Formula: C19H27F2N3O
• Molecular Weight: 351.44 g/mol
• Exact Mass: 351.21
• IUPAC Name: 4-(2,2-difluoroethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperazine-1-carboxamide
• SMILES: CC(NC(=O)N1CCN(CC(F)F)CC1)c1ccc2c(c1)CCCC2
• InChI: InChI=1S/C19H27F2N3O/c1-14(16-7-6-15-4-2-3-5-17(15)12-16)22-19(25)24-10-8-23(9-11-24)13-18(20)21/h6-7,12,14,18H,2-5,8-11,13H2,1H3,(H,22,25)
• InChIKey: QYDIYOPOXNSZPD-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 35.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.44
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperazine-1-carboxamide?

The IUPAC name of 4-(2,2-difluoroethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperazine-1-carboxamide (CID 49121709) is 4-(2,2-difluoroethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperazine-1-carboxamide.

What is the SMILES notation for 4-(2,2-difluoroethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperazine-1-carboxamide?

The canonical SMILES for 4-(2,2-difluoroethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperazine-1-carboxamide is CC(NC(=O)N1CCN(CC(F)F)CC1)c1ccc2c(c1)CCCC2.

What is the InChIKey of 4-(2,2-difluoroethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperazine-1-carboxamide?

The InChIKey is QYDIYOPOXNSZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F2N3O/c1-14(16-7-6-15-4-2-3-5-17(15)12-16)22-19(25)24-10-8-23(9-11-24)13-18(20)21/h6-7,12,14,18H,2-5,8-11,13H2,1H3,(H,22,25).

What are the key properties of 4-(2,2-difluoroethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperazine-1-carboxamide?

4-(2,2-difluoroethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 351.44 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,2-difluoroethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 49121709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).